Mrv1652309042208102D 32 32 0 0 1 0 999 V2000 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 9 32 2 0 0 0 0 3 32 1 0 0 0 0 M END > NP0189653 > NP-MRD > COC1=CC(C)=C(O)C(C\C=C(/C)C[C@@H](O)\C=C(/C)CC\C=C(/C)[C@H](O)CC=C(C)C)=C1 > InChI=1S/C28H42O4/c1-19(2)11-14-27(30)22(5)10-8-9-20(3)15-25(29)16-21(4)12-13-24-18-26(32-7)17-23(6)28(24)31/h10-12,15,17-18,25,27,29-31H,8-9,13-14,16H2,1-7H3/b20-15+,21-12+,22-10+/t25-,27+/m0/s1 > HCFTYFWATNOLFF-UPWWZYRHSA-N > C28H42O4 > 442.64 > 442.308309832 > 4 > 74 > 53.03577395650332 > 0 > 3 > 0 > 0 > (5R,6E,10E,12R,14E)-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-5,12-diol > 6.271518308333336 > 0 > 1 > 0 > 18.18181715330446 > 10.1102742541658 > -1.0957841696264112 > 69.92 > 138.2249 > 12 > 0 > (5R,6E,10E,12R,14E)-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-5,12-diol > 0 > NP0189653 > (5r,6e,10e,12r,14e)-16-(2-hydroxy-5-methoxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-5,12-diol $$$$